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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:35:04 UTC
Update Date2025-03-24 17:53:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00998544
Frequency1.4
Structure
Chemical FormulaC6H8O2S
Molecular Mass144.0245
SMILESCOC(=O)C1=CSCC1
InChI KeyZENAHRFMHLIZCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous thioesters
Subclass vinylogous thioesters
Direct Parent vinylogous thioesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • dihydrothiophenes
  • enoate esters
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • thioenol ethers
    • Substituents
  • enoate ester
  • vinylogous thioester
  • carbonyl group
  • 2,3-dihydrothiophene
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • thioenolether
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound